2-(4,6-dimethyl-5,7-dioxopyrazolo[4,5-d]pyrimidin-1-yl)-N-[4-[4-(2,2-dimethylpropoxy)-3,5-difluorophenyl]-1,3-thiazol-2-yl]acetamide

C23H24F2N6O4S — CID 46946444

IUPAC2-(4,6-dimethyl-5,7-dioxopyrazolo[4,5-d]pyrimidin-1-yl)-N-[4-[4-(2,2-dimethylpropoxy)-3,5-difluorophenyl]-1,3-thiazol-2-yl]acetamide
SMILESCn1c(=O)c2c(cnn2CC(=O)Nc2nc(-c3cc(F)c(OCC(C)(C)C)c(F)c3)cs2)n(C)c1=O
InChIInChI=1S/C23H24F2N6O4S/c1-23(2,3)11-35-19-13(24)6-12(7-14(19)25)15-10-36-21(27-15)28-17(32)9-31-18-16(8-26-31)29(4)22(34)30(5)20(18)33/h6-8,10H,9,11H2,1-5H3,(H,27,28,32)
InChIKeyKSIOKTDMWIMTCN-UHFFFAOYSA-N
MW518.55 g/mol
LogP2.90
Rot. Bonds6

About 2-(4,6-dimethyl-5,7-dioxopyrazolo[4,5-d]pyrimidin-1-yl)-N-[4-[4-(2,2-dimethylpropoxy)-3,5-difluorophenyl]-1,3-thiazol-2-yl]acetamide

2-(4,6-dimethyl-5,7-dioxopyrazolo[4,5-d]pyrimidin-1-yl)-N-[4-[4-(2,2-dimethylpropoxy)-3,5-difluorophenyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 46946444) has the molecular formula C23H24F2N6O4S and a molecular weight of 518.55 g/mol. Its IUPAC name is 2-(4,6-dimethyl-5,7-dioxopyrazolo[4,5-d]pyrimidin-1-yl)-N-[4-[4-(2,2-dimethylpropoxy)-3,5-difluorophenyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(4,6-dimethyl-5,7-dioxopyrazolo[4,5-d]pyrimidin-1-yl)-N-[4-[4-(2,2-dimethylpropoxy)-3,5-difluorophenyl]-1,3-thiazol-2-yl]acetamide
PubChem CID46946444
Molecular FormulaC23H24F2N6O4S
Molecular Weight518.55 g/mol
Exact Mass518.15
IUPAC Name2-(4,6-dimethyl-5,7-dioxopyrazolo[4,5-d]pyrimidin-1-yl)-N-[4-[4-(2,2-dimethylpropoxy)-3,5-difluorophenyl]-1,3-thiazol-2-yl]acetamide
SMILESCn1c(=O)c2c(cnn2CC(=O)Nc2nc(-c3cc(F)c(OCC(C)(C)C)c(F)c3)cs2)n(C)c1=O
InChIInChI=1S/C23H24F2N6O4S/c1-23(2,3)11-35-19-13(24)6-12(7-14(19)25)15-10-36-21(27-15)28-17(32)9-31-18-16(8-26-31)29(4)22(34)30(5)20(18)33/h6-8,10H,9,11H2,1-5H3,(H,27,28,32)
InChIKeyKSIOKTDMWIMTCN-UHFFFAOYSA-N
XLogP2.90
TPSA113.04 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.55
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 2-(4,6-dimethyl-5,7-dioxopyrazolo[4,5-d]pyrimidin-1-yl)-N-[4-[4-(2,2-dimethylpropoxy)-3,5-difluorophenyl]-1,3-thiazol-2-yl]acetamide with MolForge

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Related Compounds

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N-[3-(diethylamino)propyl]-1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 10005423
N-[4-[4-(cyclobutylmethoxy)-3,5-difluorophenyl]-1,3-thiazol-2-yl]-2-(4,6-dimethyl-5,7-dioxopyrazolo[4,5-d]pyrimidin-1-yl)acetamide
CID 46946257
N-[4-[3-chloro-4-(2,2-dimethylpropoxy)-5-fluorophenyl]-1,3-thiazol-2-yl]-2-(4,6-dimethyl-5,7-dioxopyrazolo[4,5-d]pyrimidin-1-yl)acetamide
CID 46946443
2-(4,6-dimethyl-5,7-dioxopyrazolo[4,5-d]pyrimidin-1-yl)-N-[4-[4-(2,2-dimethylpropoxy)-3-fluorophenyl]-1,3-thiazol-2-yl]acetamide
CID 46946649
N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]-1-methyl-1H-pyrazole-5-carboxamide
CID 25284522
1-methyl-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]-1H-pyrazole-3-carboxamide
CID 25284660
N-(4-(4-methoxyphenyl)-5-methylthiazol-2-yl)-1-methyl-1H-pyrazole-5-carboxamide
CID 42110488
1-methyl-N-(4-(4-phenoxyphenyl)thiazol-2-yl)-1H-pyrazole-3-carboxamide
CID 42110939
N-(4-(4-ethoxyphenyl)-5-methylthiazol-2-yl)-1-methyl-1H-pyrazole-3-carboxamide
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1-ethyl-3-methyl-N-(4-(4-propoxyphenyl)thiazol-2-yl)-1H-pyrazole-5-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethyl-5,7-dioxopyrazolo[4,5-d]pyrimidin-1-yl)-N-[4-[4-(2,2-dimethylpropoxy)-3,5-difluorophenyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-(4,6-dimethyl-5,7-dioxopyrazolo[4,5-d]pyrimidin-1-yl)-N-[4-[4-(2,2-dimethylpropoxy)-3,5-difluorophenyl]-1,3-thiazol-2-yl]acetamide (CID 46946444) is 2-(4,6-dimethyl-5,7-dioxopyrazolo[4,5-d]pyrimidin-1-yl)-N-[4-[4-(2,2-dimethylpropoxy)-3,5-difluorophenyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-(4,6-dimethyl-5,7-dioxopyrazolo[4,5-d]pyrimidin-1-yl)-N-[4-[4-(2,2-dimethylpropoxy)-3,5-difluorophenyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-(4,6-dimethyl-5,7-dioxopyrazolo[4,5-d]pyrimidin-1-yl)-N-[4-[4-(2,2-dimethylpropoxy)-3,5-difluorophenyl]-1,3-thiazol-2-yl]acetamide is Cn1c(=O)c2c(cnn2CC(=O)Nc2nc(-c3cc(F)c(OCC(C)(C)C)c(F)c3)cs2)n(C)c1=O.
What is the InChIKey of 2-(4,6-dimethyl-5,7-dioxopyrazolo[4,5-d]pyrimidin-1-yl)-N-[4-[4-(2,2-dimethylpropoxy)-3,5-difluorophenyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is KSIOKTDMWIMTCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F2N6O4S/c1-23(2,3)11-35-19-13(24)6-12(7-14(19)25)15-10-36-21(27-15)28-17(32)9-31-18-16(8-26-31)29(4)22(34)30(5)20(18)33/h6-8,10H,9,11H2,1-5H3,(H,27,28,32).
What are the key properties of 2-(4,6-dimethyl-5,7-dioxopyrazolo[4,5-d]pyrimidin-1-yl)-N-[4-[4-(2,2-dimethylpropoxy)-3,5-difluorophenyl]-1,3-thiazol-2-yl]acetamide?
2-(4,6-dimethyl-5,7-dioxopyrazolo[4,5-d]pyrimidin-1-yl)-N-[4-[4-(2,2-dimethylpropoxy)-3,5-difluorophenyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 518.55 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethyl-5,7-dioxopyrazolo[4,5-d]pyrimidin-1-yl)-N-[4-[4-(2,2-dimethylpropoxy)-3,5-difluorophenyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 46946444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).